SCHEMBL8077306

SCHEMBL8077306

COc1cccc(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.65
GABRB1 P18505 1/20 0.65
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
STS P08842 3/20 0.54
PARP1 P09874 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
XBP1 P17861 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8077435 0.86 GABRA1 (0.60) GABRA1GABRB1CES2CES1KMT2A
SCHEMBL2417164 0.83 GABRA1 (0.66) GABRA1GABRB1CES2CES1MEN1
SCHEMBL4823687 0.82 CES2 (0.77) CES2CES1STSPARP1ESR1
SCHEMBL31414638 0.82 CES2 (0.77) CES2CES1STSPARP1ESR1
SCHEMBL4820908 0.81 CES2 (0.69) CES2CES1STSPARP1ESR1
Hydrochloric Acid SCHEMBL27733557 0.81 CES2 (0.74) CES2CES1STSPARP1ESR1
SCHEMBL8286757 0.80 GABRA1 (0.71) GABRA1GABRB1PARP1ESR1KMT2A
SCHEMBL29405385 0.79 GABRA1 (1.00) GABRA1GABRB1KMT2ARAB9AMAPT
SCHEMBL3472780 0.79 STS (0.59) CES2CES1STSPARP1MEN1
SCHEMBL8067518 0.79 GABRA1 (0.59) GABRA1GABRB1MAPTALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520290-B1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE LLC (US) 2014-12-10 EP disclosed
US-7586008-B2 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2009-09-08 US disclosed
US-7586008-B2 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2009-09-08 US disclosed
US-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-11-06 US disclosed
US-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-11-06 US disclosed
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2007-08-09 US disclosed
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use ABRAXIS BIOSCIENCE, INC. (US) 2007-08-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275100-A1 PROPOFOL ANALOGS, PROCESS FOR THEIR PREPARATION, AND METHODS OF USE CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885CES2 479/4885
US-20070185217-A1 Propofol analogs, process for their preparation, and methods of use CYP3A5, CYP3A4, GABARAP GABRA1 32/4885GABRB1 81/4885CES2 479/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.